N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide

C12H16F2N2O — CID 113400228

IUPACN-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
SMILESCCNc1ccc(C(=O)NCC(F)F)c(C)c1
InChIInChI=1S/C12H16F2N2O/c1-3-15-9-4-5-10(8(2)6-9)12(17)16-7-11(13)14/h4-6,11,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyHPYNESMQLNJODD-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.42
Rot. Bonds5

About N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide

N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide (PubChem CID 113400228) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
PubChem CID113400228
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
SMILESCCNc1ccc(C(=O)NCC(F)F)c(C)c1
InChIInChI=1S/C12H16F2N2O/c1-3-15-9-4-5-10(8(2)6-9)12(17)16-7-11(13)14/h4-6,11,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyHPYNESMQLNJODD-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(ethylamino)-2-methylbenzamide
CID 106280076
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
4-(2,2-difluoroethylamino)-2-methylbenzoic acid
CID 115408718
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103011268
N-ethyl-4-(ethylamino)-2-methyl-N-propylbenzamide
CID 113400156
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580
N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
CID 107631086
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide (CID 113400228) is N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide is CCNc1ccc(C(=O)NCC(F)F)c(C)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide?
The InChIKey is HPYNESMQLNJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-15-9-4-5-10(8(2)6-9)12(17)16-7-11(13)14/h4-6,11,15H,3,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide?
N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide is sourced from PubChem (CID 113400228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).